ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(imidazol-1-ylmethyl)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-5-(imidazol-1-ylmethyl)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-5-(imidazol-1-ylmethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(1-imidazolylmethyl)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-(imidazol-1-ylmethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-ethoxy-3-keto-prop-1-enyl]-5-(imidazol-1-ylmethyl)phenyl]acrylic acid ethyl ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CN2C=CN=C2)C=CC(=O)OCC

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CN2C=CN=C2)/C=C/C(=O)OCC

InChI

InChI=1S/C20H22N2O4/c1-3-25-19(23)7-5-16-11-17(6-8-20(24)26-4-2)13-18(12-16)14-22-10-9-21-15-22/h5-13,15H,3-4,14H2,1-2H3/b7-5+,8-6+